SCHEMBL14909228

SCHEMBL14909228

Brc1cnc2c(NCC3CC3)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 5/20 0.41
PTGER4 P35408 1/20 0.40
MEN1 O00255 2/20 0.39
APAF1 O14727 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
HTR6 P50406 2/20 0.36
KHK P50053 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
KDR P35968 1/20 0.36
MAP4K4 O95819 1/20 0.36
PDE10A Q9Y233 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3350375 0.81 MAP4K4 (0.37) PRKCQHTR6KHKPIM1PIM2
SCHEMBL28165149 0.77 TRPV1 (0.43) HTR6KHKUTS2RMAP4K4KDM4C
SCHEMBL3382495 0.74 KDR (0.41) MEN1APAF1KMT2APOLBBLM
SCHEMBL10077040 0.74 SMN1; SMN2 (0.44) MEN1APAF1KMT2APOLBBLM
SCHEMBL16913971 0.73 TDO2 (0.45) PRKCQPTGER4IDO1TDO2PIM1
SCHEMBL14905700 0.72 PTGER4 (0.48) PRKCQPTGER4KMT2AIDO1TDO2
SCHEMBL30996050 0.71 GRM4 (0.54) MEN1APAF1KMT2ABLML3MBTL1
SCHEMBL14910044 0.71 NCF1 (0.37) MEN1APAF1KMT2APOLBBLM
SCHEMBL3908444 0.70 HTR6 (0.46) HTR6PIM1PIM2
SCHEMBL3914009 0.69 KCNH3 (0.40) HTR6PIM1PIM2KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK PRKCQ 589/4885PTGER4 1993/4885MEN1 2870/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.